CID 3068511

83494-79-5

Structural Information

Molecular Formula

C₂₃H₂₅N₃O₄

SMILES

C1CC2=C(C(=CO2)C(=O)N(CCC#N)CCN3CCOCC3)C(=O)C4=CC=CC=C41

InChI

InChI=1S/C23H25N3O4/c24-8-3-9-26(11-10-25-12-14-29-15-13-25)23(28)19-16-30-20-7-6-17-4-1-2-5-18(17)22(27)21(19)20/h1-2,4-5,16H,3,6-7,9-15H2

InChIKey

LZGJLHMQLQULIS-UHFFFAOYSA-N

Compound name

N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-oxo-6-oxatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 407.1845 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	408.191776	194.9
[M+Na]+	430.173718	200.8
[M-H]-	406.177224	201.6
[M+NH4]+	425.218323	203.1
[M+K]+	446.147658	198.6
[M+H-H2O]+	390.181760	180.2
[M+HCOO]-	452.182701	205.9
[M+CH3COO]-	466.198351	201.5
[M+Na-2H]-	428.159166	194.8
[M]+	407.18395142	188.4
[M]-	407.18504858	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.